SCHEMBL5604351

SCHEMBL5604351

C=C(C)C(=O)OCCc1ccccc1[C](C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 3/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 8/20 0.40
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN3A Q9NY46 2/20 0.37
FOLH1 Q04609 1/20 0.37
TYR P14679 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ELANE P08246 1/20 0.36
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21112016 0.89 FOLH1 (0.50) THRBALDH1A1LMNATDP1POLB
SCHEMBL14480229 0.85 ELANE (0.48) THRBALDH1A1LMNATDP1POLB
Phosphoric Acid SCHEMBL17294765 0.84 FOLH1 (0.45) THRBALDH1A1LMNATDP1POLB
SCHEMBL29603148 0.83 THRB (0.46) THRBALDH1A1TDP1POLBAPEX1
SCHEMBL716321 0.83 TYR (0.54) THRBTDP1POLBAPEX1HTT
SCHEMBL146236 0.83 THRB (0.46) THRBALDH1A1TDP1POLBAPEX1
SCHEMBL31744950 0.83 TYR (0.54) THRBTDP1POLBAPEX1HTT
SCHEMBL28314143 0.83 THRB (0.46) THRBALDH1A1TDP1POLBAPEX1
SCHEMBL9404701 0.81 THRB (0.45) THRBALDH1A1TDP1POLBAPEX1
SCHEMBL149752 0.81 THRB (0.45) THRBALDH1A1TDP1POLBAPEX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007529601-A 2007-10-25 JP claimed
EP-1756182-A1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER Bostik, Inc. (US) 2007-02-28 EP claimed
WO-2005090422-A1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER BOSTIK, INC. (US) 2005-09-29 WO claimed